3-Methyldiphenylamine

CAT: 0024-sc-226155Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226155Size:10 g

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CAS Number

1205-64-7

Chemical Information

N-(3-Methylphenyl)aniline

CAS Number	1205-64-7
PubChem CID	14569
IUPAC Name	3-methyl-N-phenylaniline
Molecular Formula	C13H13N
Molecular Weight	183.25
XLogP	3.8
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	161

SMILES

CC1=CC(=CC=C1)NC2=CC=CC=C2

InChI

InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3

InChIKey

TWPMMLHBHPYSMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1205-64-7

CID: 14569

Formula: C13H13N

MW: 183.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.25
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	183.104799419
Monoisotopic Mass	183.104799419
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-266683	3-Hydroxy-4'-methyldiphenylamine
sc-236071	N-Methyldiphenylamine
sc-277526	4-Methyldiphenylamine
sc-485575	2-Fluoro-5-methyldiphenylamine
sc-487885	4-Methoxy-2-methyldiphenylamine
sc-487890	4-Methoxy-4'-methyldiphenylamine
sc-314517	4- (4-Chloro-3-methylphenoxy) -3-methylphenylamine
sc-315444	4-[3- (tert-Butyl) phenoxy]-3-methylphenylamine
sc-314284	4- (3-Chloro-4-fluorophenoxy) -3-methylphenylamine
sc-314281	4- (3-Chloro-4-fluorophenoxy) -2-methylphenylamine

Catalog	Name
abx183437-01	3-Methyldiphenylamine
M16240-01	N-Methyldiphenylamine
33	4-methyldiphenylamine
OR1011584-01	4-Methoxy-2-Methyldiphenylamine
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
NU-456L	3',3',3'-cAAG